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Home Boronic Acids 957060-89-8
957060-89-8,MFCD09027255
Catalog No.:AA003A24

957060-89-8 | 3-(2-Morpholinoethylcarbamoyl)phenylboronic acid, HCl

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
98%
in stock  
$253.00   $177.00
- +
5g
98%
in stock  
$1,050.00   $735.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA003A24
Chemical Name:
3-(2-Morpholinoethylcarbamoyl)phenylboronic acid, HCl
CAS Number:
957060-89-8
Molecular Formula:
C13H20BClN2O4
Molecular Weight:
314.5729
MDL Number:
MFCD09027255
SMILES:
O=C(c1cccc(c1)B(O)O)NCCN1CCOCC1.Cl
Properties
Computed Properties
 
Complexity:
311  
Covalently-Bonded Unit Count:
2  
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
4  
Rotatable Bond Count:
5  

Downstream Synthesis Route

[1]Morales,GuillermoA.;Garlich,JosephR.;Su,Jingdong;Peng,Xiaodong;Newblom,Jessica;Weber,Kevin;Durden,DonaldL.[JournalofMedicinalChemistry,2013,vol.56,#5,p.1922-1939]

64-18-6    957060-89-8   
4-bromo-N-alpha-(trans-4-(tert-butoxycarbonyl)aminomethyl}cyclohexyl)carbonyl-N-4-(1H-tetrazol-5-yl)phenyl-L-phenylalaninamide 
 
tert-butyl(trans-4-(2S)-3-(3'-2-(morpholin-4-yl)ethylcarbamoyl}biphenyl-4-yl)-1-oxo-1-4-(1H-tetrazol-5-yl)phenylamino}propan-2-ylcarbamoyl}cyclohexyl)methylcarbamateformate 

[1]CurrentPatentAssignee:BAYERAG-US2016/237067,2016,A1Locationinpatent:Paragraph0588;0589;0590

Literature
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SDS
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Tags:957060-89-8 Molecular Formula|957060-89-8 MDL|957060-89-8 SMILES|957060-89-8 3-(2-Morpholinoethylcarbamoyl)phenylboronic acid, HCl